Re: [AMBER] Amber 22 installation error

From: Kshatresh Dutta Dubey via AMBER <amber.ambermd.org>
Date: Tue, 17 Jan 2023 22:29:23 +0530

Thanks a lot David. It worked.

Best regards
Kshatresh


On Mon, Jan 16, 2023 at 11:48 PM David A Case <david.case.rutgers.edu>
wrote:

> On Sat, Jan 14, 2023, Kshatresh Dutta Dubey via AMBER wrote:
> >
> >I will be thankful if someone could suggest to fix the issue during
> >installation of Amber 22. I am installing Amber 22 on an RHEL 8,
> >cuda-enable ( cuda version 11.04 and gcc 11.3). I have applied all Amber
> >tool updates, however I am getting following error:
> >
>
> >/data/home/kshatresh.dubey/PROGRAMS/amber22_src/AmberTools/src/sander/mdfil.F90:157:13:
> >
> > rismcrdfil = ''
> > 1
> >Error: Symbol ‘rismcrdfil’ at (1) has no IMPLICIT type; did you mean
> >‘crdfile’?
>
> This is indeed a very odd error. The code looks perfectly fine, and no one
> else has ever reported this problem.
>
> Is there a chance that you are compiling a second time, and that some old
> files might be lying around? If so, use the "clean_build" script in
> amber22_src/build to get rid of all previous attempts. It might be worth
> re-installing everything into a fresh directory and starting over.
>
> I don't have anything better to suggest right now.
>
> ....dac
>
>

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Received on Tue Jan 17 2023 - 09:30:03 PST
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